CID 10866760

Ethyl 3-(1-methylcyclopropyl)-3-oxopropanoate

Structural Information

Molecular Formula
C9H14O3
SMILES
CCOC(=O)CC(=O)C1(CC1)C
InChI
InChI=1S/C9H14O3/c1-3-12-8(11)6-7(10)9(2)4-5-9/h3-6H2,1-2H3
InChIKey
IWHYFYBVTHEJLL-UHFFFAOYSA-N
Compound name
ethyl 3-(1-methylcyclopropyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

170.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 138.4
[M+Na]+ 193.08352 147.1
[M-H]- 169.08702 143.2
[M+NH4]+ 188.12812 155.9
[M+K]+ 209.05746 146.6
[M+H-H2O]+ 153.09156 133.8
[M+HCOO]- 215.09250 160.3
[M+CH3COO]- 229.10815 182.7
[M+Na-2H]- 191.06897 143.2
[M]+ 170.09375 144.0
[M]- 170.09485 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe